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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 6-Mar-2026 | aldol_anion_initial_TS206_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.724607380223; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_initial_TS210_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.718394565864; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_initial_TS212_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.723622741389; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_initial_TS391_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.718224419537; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_initial_TS405_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.720903765376; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_initial_TS367_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.723173295732; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_initial_TS371_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.717816600206; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_initial_TS373_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.721165553349; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_initial_TS375_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.721178705460; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_initial_TS378_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.723341141990; Eh | - | - |
Results 392161-392170 of 401714 (Search time: 0.279 seconds).
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Subject
- 12577 Density functional calculations
- 6967 Radicals
- 6799 Ab initio calculations
- 6766 Aromaticity
- 6643 Magnetic properties
- 6348 Electric Field
- 6348 Magnetoelectricity
- 4188 2D Covalent Organic Frameworks
- 3761 BF3 Solvation
- 3145 Homogeneous catalysis
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